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CHEMDIV-ZINC04118868

 MMsINC code: MMs00927890
Type: Neutral
Formula: C26H25N3O4
SMILES:   o1cccc1CNC(=O)C1c2c(cccc2)C(=O)N(CCOC)C1c1c2c([nH]c1)cccc2
InChI:   InChI=1/C26H25N3O4/c1-32-14-12-29-24(21-16-27-22-11-5-4-8-18(21)22)23(19-9-2-3-10-20(19)26(29)31)25(30)28-15-17-7-6-13-33-17/h2-11,13,16,23-24,27H,12,14-15H2,1H3,(H,28,30)/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.5926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.503 g/mol  logS: -5.37593  SlogP: 4.3663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304615  Sterimol/B1: 2.4151  Sterimol/B2: 4.24976  Sterimol/B3: 7.29809
  Sterimol/B4: 9.80366  Sterimol/L: 16.4413 
 
 Surface and Volume Properties
  Accessible surface: 709.565  Positive charged surface: 443.874  Negative charged surface: 262.618  Volume: 422.75
  Hydrophobic surface: 617.894  Hydrophilic surface: 91.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.